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| Field | Value |
| Title | Theoretical investigation of intramolecular magnetic interaction through an ethylenic coupler |
| Names |
VYAS, S
(author) ALI, ME (author) HOSSAIN, E (author) PATWARDHAN, S (author) DATTA, SN (author) |
| Date Issued | 2005 (iso8601) |
| Abstract | We show that an ethylenic coupler provides a very strong intramolecular magnetic interaction. A recently synthesized nitronyl nitroxide derivative, D-NIT2, is investigated by ab initio quantum chemical methods. The broken symmetry approach yields a coupling constant -541 K that is in good agreement with the observed value in solid state. |
| Genre | Letter |
| Topic | nitrophenyl nitronyl nitroxide |
| Identifier | 1089-5639 |
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